CID 53399398

1260387-16-3

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC1(CCNCC1)C(=O)O

InChI

InChI=1S/C7H13NO3/c1-11-7(6(9)10)2-4-8-5-3-7/h8H,2-5H2,1H3,(H,9,10)

InChIKey

WJACJJKVFSLPJH-UHFFFAOYSA-N

Compound name

4-methoxypiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 159.08954 Da
Monoisotopic Mass: -2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	160.096816	134.5
[M+Na]+	182.078758	139.7
[M-H]-	158.082264	133.4
[M+NH4]+	177.123363	154.1
[M+K]+	198.052698	138.7
[M+H-H2O]+	142.086800	129.4
[M+HCOO]-	204.087741	150.9
[M+CH3COO]-	218.103391	169.4
[M+Na-2H]-	180.064206	139.7
[M]+	159.08899142	129.5
[M]-	159.09008858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe